SCHEMBL6156431

SCHEMBL6156431

Cc1cc(NC(=O)NN(c2ccccc2)c2cccc(C#N)c2)ccc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
CNR1 P21554 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
CASR P41180 1/20 0.42
DGAT1 O75907 1/20 0.42
CSF1R P07333 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
AKT1 P31749 1/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6157484 0.84 ALDH1A1 (0.43) HTTDGAT1CSF1RKITPDGFRA
SCHEMBL6156914 0.83 F10 (0.49) HTTDGAT1CSF1RKITPDGFRA
SCHEMBL6157189 0.82 KCNJ6 (0.40) CNR1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6157574 0.75 ALDH1A1 (0.41) HTTRXFP1MAPTRAB9ASMN1; SMN2
SCHEMBL6156558 0.74 RAB9A (0.52) HTTMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL29769098 0.70 ALDH1A1 (0.63) HTTDGAT1MAPTRAB9ASMN1; SMN2
SCHEMBL1857426 0.70 LMNA (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL25802139 0.69 ALDH1A1 (0.57) HTTDGAT1MAPTRAB9ASMN1; SMN2
SCHEMBL29639819 0.69 MAPK9 (0.53) HTTDGAT1CSF1RKITPDGFRA
SCHEMBL1140348 0.68 RAF1 (0.56) RAF1BRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171102-A1 Semicarbazide derivatives for combating thromboembolic diseases MERCK PATENT GMBH (DE) 2005-08-04 US claimed
EP-1501814-A1 SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES MERCK PATENT GmbH (DE) 2005-02-02 EP claimed
WO-2003093254-A1 SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES MERCK PATENT GMBH (DE) 2003-11-13 WO claimed
US-20050171102-A1 Semicarbazide derivatives for combating thromboembolic diseases MERCK PATENT GMBH (DE) 2005-08-04 US disclosed
EP-1501814-A1 SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES MERCK PATENT GmbH (DE) 2005-02-02 EP disclosed
WO-2003093254-A1 SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES MERCK PATENT GMBH (DE) 2003-11-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050171102-A1 Semicarbazide derivatives for combating thromboembolic diseases SERPINC1, F11, F12 HTT 3118/4885CNR1 102/4885RXFP1 31/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.